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Пакунок: autogrid (4.2.6-9) [debports]

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pre-calculate binding of ligands to their receptor

The AutoDockSuite addresses the molecular analysis of the docking of a smaller chemical compounds to their receptors of known three-dimensional structure.

The AutoGrid program performs pre-calculations for the docking of a ligand to a set of grids that describe the effect that the protein has on point charges. The effect of these forces on the ligand is then analysed by the AutoDock program.

Інші пакунки пов'язані з autogrid

  • depends
  • recommends
  • suggests
  • enhances

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ia64 (unofficial port) 56.9 kB178.0 kB [список файлів]